Vibrational Frequencies calculated at CCSD=FULL/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
3031 |
3031 |
54.12 |
|
|
|
| 2 |
A1 |
1818 |
1818 |
83.78 |
|
|
|
| 3 |
A1 |
1580 |
1580 |
6.48 |
|
|
|
| 4 |
B1 |
1211 |
1211 |
4.42 |
|
|
|
| 5 |
B2 |
3109 |
3109 |
102.33 |
|
|
|
| 6 |
B2 |
1293 |
1293 |
10.61 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6020.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6020.6 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.